4-Iodobenzylamine - CAS 39959-59-6

Catalog:	BB024217
Product Name:	4-Iodobenzylamine
CAS:	39959-59-6
Synonyms:	(4-iodophenyl)methanamine; (4-iodophenyl)methanamine

Technical Data

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Computed Properties

IUPAC Name:	(4-iodophenyl)methanamine
Description:	4-Iodobenzylamine (CAS# 39959-59-6) is a useful research chemical.
Molecular Weight:	233.05
Molecular Formula:	C7H8IN
Canonical SMILES:	C1=CC(=CC=C1CN)I
InChI:	InChI=1S/C7H8IN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
InChI Key:	KCGZGJOBKAXVSU-UHFFFAOYSA-N
Boiling Point:	113-115 ℃ / 4 mmHg
Melting Point:	46-48 ℃
Purity:	95 %
Density:	1.772 g/cm³
Appearance:	Solid
MDL:	MFCD00047933
LogP:	2.45020

Publication Number	Title	Priority Date
CN-113264895-A	Synthetic method for preparing benzoxazole compound from catechol compound and amine compound	20210606
CN-113264896-A	Synthetic method for preparing benzoxazole compound by oxidizing catechol compound with oxygen	20210606
WO-2021119522-A1	Compounds, polymers, devices, and uses thereof	20191213
WO-2021108411-A1	Merging c(sp3)-h activation with dna-encoding	20191125
WO-2021072156-A1	Oral complement factor d inhibitors	20191009

PMID	Publication Date	Title	Journal
22384159	20120101	Molecular targets for 17α-ethynyl-5-androstene-3β,7β,17β-triol, an anti-inflammatory agent derived from the human metabolome	PloS one

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Related Functional Groups

Amines and Anilines

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(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1006473-17-1]
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[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1824357-78-9]
2-(1-Benzyl-3-pyrazolyl)ethylamine
[17583-40-3]
2-(Methylamino)benzonitrile
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	77
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.97015
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	232.97015
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3